List of Researchers, the identifying part of their recent WU names, and the type of research the work falls into.

Nate
CMYBKIX - Cancer, Neural disorders (amyloid fibril diseases such as Alzheimer’s and Parkinson’s)

CMYB_equil - Cancer

NATHAN_benfix

NATHAN_KIDKIX - Methods, Cancer and Neural disorders

NATHAN_KID - Methods


Noelia
NOELIA_THROMBIN Methods

MG2EC - Neural Disorders

BI_3 - Diabetes and drug target binding generally.

NOELIA_KLEBE - Methods and drug discovery

FXArep, FXA, TRPS1S4 - Thrombosis

NOELIA_INS1P

RL1_run


Stephan
NTL - Methods (folding)

BARNA - Methods

SDOERR_VillinAdapt - Methods

SDOERR_BenAdapt - Methods


Gerard
A2AR (A2A Adenosine Receptor) - Neural disorders (drug development target for neurodegenerative conditions) - Video of Result

CXCL12_chalcone_umbrella (short) - Cancer and Methods
CXCL12_BestUmbrella_chalcone (long) - Cancer and Methods


MJH
3HHM-1/ZINC (CPU work) - Cancer

DUDHIVPR - Methods (App testing on completed HIV related work)


GDF
opi (opioid receptors) - Neural disorders

NTL (ntl9) - Methods


Toni
KKAL4 - cancer


Some older, published work:

2HDQ - Methods
P. Bisignano, S. Doerr, M. J. Harvey, A. Favia, A. Cavalli and G. De Fabritiis,
Kinetic characterization of fragment binding in AmpC β-lactamase by high-throughput molecular simulations, J. Chem. Inf. Model., 2014, 54 (2), pp 362–366.

BenAdapt - Methods
S. Doerr and G. De Fabritiis,
On-the-fly learning and sampling of ligand binding by high-throughput molecular simulations, submitted (2013).



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